Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)-
TL;DR: Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)- (CAS 131528-52-4) is a chemical compound with molecular formula C31H25N5O3S and molecular weight 547.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(anilinomethyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]-4-(benzylideneamino)benzamide
Also Known As: Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)-, 4-(Benzylideneamino)-N-[[hexahydro-4,6-dioxo-2-thioxo-3-(phenyl)-5-(phenylaminomethyl)pyrimidin]-1-yl]benzamide, N-[5-(anilinomethyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]-4-(benzylideneamino)benzamide, N-{4,6-dioxo-3-phenyl-5-[(phenylamino)methyl]-2-sulfanylidene-1,3-diazinan-1-yl}-4-[(phenylmethylidene)amino]benzamide
| Molecular Formula | C31H25N5O3S |
|---|---|
| Molecular Weight | 547.17 g/mol |
| LogP | 4.9706 |
| Topological Polar Surface Area | 94.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.1678 |
| Heavy Atoms | 40 |
| Complexity | 1544.6841 |
Chemical Identifiers
| CAS Number | 131528-52-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)NN3C(=O)C(C(=O)N(C3=S)C4=CC=CC=C4)CNC5=CC=CC=C5 |
Product Overview
Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)- (CAS 131528-52-4), with molecular formula C31H25N5O3S and molecular weight 547.17 g/mol. IUPAC: N-[5-(anilinomethyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl]-4-(benzylideneamino)benzamide.
Chemical Property Profile of Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)-
Property Insights of Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)-
The XLogP value of 4.9706 indicates that Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)-. Following Lipinski's Rule of Five, Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)-?
The CAS number of Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)- is 131528-52-4.
What is the molecular formula of Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)-?
The molecular formula of Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)- is C31H25N5O3S.
What is the molecular weight of Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)-?
The molecular weight of Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)- is 547.17 g/mol.
Where can I buy Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)-?
You can request a quote for Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, 4-((phenylmethylene)amino)-N-(tetrahydro-4,6-dioxo-3-phenyl-5-((phenylamino)methyl)-2-thioxo-1(2H)-pyrimidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.